UCSF

ZINC69488887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 6.35 -14.23 2 5 0 73 348.402 1
Hi High (pH 8-9.5) 3.52 7.18 -58.41 1 5 -1 76 347.394 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.